2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine

C12H27NO — CID 91542550

IUPAC2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine
SMILESCCCC(CN)(COCC)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-12(9-13,8-11(3)4)10-14-6-2/h11H,5-10,13H2,1-4H3
InChIKeyPBTIGXMYTFXCHD-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.81
Rot. Bonds8

About 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine

2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine (PubChem CID 91542550) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine
PubChem CID91542550
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine
SMILESCCCC(CN)(COCC)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-12(9-13,8-11(3)4)10-14-6-2/h11H,5-10,13H2,1-4H3
InChIKeyPBTIGXMYTFXCHD-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
CID 106705975
[1-(Methoxymethyl)cyclohexyl]methanamine
CID 17951250
2-Cyclopentyl-3-methoxy-2-methylpropan-1-amine
CID 84109029
2-Cyclohexyl-3-methoxy-2-methylpropan-1-amine
CID 84111750
2-(Aminomethyl)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 87384396
[1-(Ethoxymethyl)cyclohexyl]methanamine
CID 103984440
2-(Methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-Ethyl-2-(methoxymethyl)hexan-1-amine
CID 103984446
2-(Aminomethyl)-4-methyl-2-propylpentan-1-ol
CID 106506345
[1-(Propoxymethyl)cyclohexyl]methanamine
CID 118947119
2,2-Diethyl-3-methoxy-4-methylpentan-1-amine
CID 123227131

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine (CID 91542550) is 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine is CCCC(CN)(COCC)CC(C)C.
What is the InChIKey of 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine?
The InChIKey is PBTIGXMYTFXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-12(9-13,8-11(3)4)10-14-6-2/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine?
2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 91542550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).